Geometry & MOs

Info

ID:	237037
PubChem CID:	92717043
Reduced:	FNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	411.103749
ΔH_f, kcal/mol:	-155.44
Dipole, Da:	4.27
IP(EA), eV:	-9.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations